4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine

C19H21N5O2 — CID 121293110

IUPAC4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N(C)C)[nH]c2c1
InChIInChI=1S/C19H21N5O2/c1-9-16(11(3)25-22-9)13-7-14(17-10(2)23-26-12(17)4)18-15(8-13)20-19(21-18)24(5)6/h7-8H,1-6H3,(H,20,21)
InChIKeyWAQRZKOQRQVRLA-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.17
Rot. Bonds3

About 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine

4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine (PubChem CID 121293110) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
PubChem CID121293110
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N(C)C)[nH]c2c1
InChIInChI=1S/C19H21N5O2/c1-9-16(11(3)25-22-9)13-7-14(17-10(2)23-26-12(17)4)18-15(8-13)20-19(21-18)24(5)6/h7-8H,1-6H3,(H,20,21)
InChIKeyWAQRZKOQRQVRLA-UHFFFAOYSA-N
XLogP4.17
TPSA83.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine?
The IUPAC name of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine (CID 121293110) is 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine.
What is the SMILES notation for 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine?
The canonical SMILES for 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine is Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N(C)C)[nH]c2c1.
What is the InChIKey of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine?
The InChIKey is WAQRZKOQRQVRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-9-16(11(3)25-22-9)13-7-14(17-10(2)23-26-12(17)4)18-15(8-13)20-19(21-18)24(5)6/h7-8H,1-6H3,(H,20,21).
What are the key properties of 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine?
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine has a molecular weight of 351.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 121293110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).